SCHEMBL1337441

SCHEMBL1337441

CNC(=O)[C@@H](N[C@H]1CC[C@@H]2CN(c3ccc(OC(F)(F)F)cc3)C[C@@H]21)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.65
LIPE Q05469 6/20 0.41
EPHX2 P34913 6/20 0.39
CHRM4 P08173 1/20 0.39
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1336114 0.90 CACNA1B (0.53) CACNA1BCHRM4
SCHEMBL1337334 0.87 CACNA1B (0.63) CACNA1B
SCHEMBL1337438 0.86 CACNA1B (0.75) CACNA1BLIPEEPHX2CHRM4ALDH1A1
SCHEMBL1337237 0.86 CACNA1B (0.77) CACNA1BLIPEEPHX2CHRM4CTSL
SCHEMBL1336996 0.86 CACNA1B (0.77) CACNA1BLIPEEPHX2CHRM4CTSL
SCHEMBL1337128 0.85 CACNA1B (0.65) CACNA1BLIPEEPHX2CHRM4CTSL
SCHEMBL1337375 0.82 CACNA1B (0.61) CACNA1BLIPEEPHX2CHRM4
SCHEMBL1337090 0.80 CACNA1B (0.62) CACNA1B
SCHEMBL1336010 0.80 CACNA1B (0.65) CACNA1B
SCHEMBL1337373 0.80 CACNA1B (0.71) CACNA1BLIPEEPHX2CHRM4EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885LIPE 3731/4885EPHX2 1564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.